2-methylimino-1,3-thiazolidin-4-one

C4H6N2OS — CID 135778872

IUPAC2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1/NC(=O)CS1
InChIInChI=1S/C4H6N2OS/c1-5-4-6-3(7)2-8-4/h2H2,1H3,(H,5,6,7)
InChIKeyDDHGVUYPMIUDTI-UHFFFAOYSA-N
MW130.17 g/mol
LogP-0.16
Rot. Bonds

About 2-methylimino-1,3-thiazolidin-4-one

2-methylimino-1,3-thiazolidin-4-one (PubChem CID 135778872) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is 2-methylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-methylimino-1,3-thiazolidin-4-one
PubChem CID135778872
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC Name2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1/NC(=O)CS1
InChIInChI=1S/C4H6N2OS/c1-5-4-6-3(7)2-8-4/h2H2,1H3,(H,5,6,7)
InChIKeyDDHGVUYPMIUDTI-UHFFFAOYSA-N
XLogP-0.16
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylimino-1,3-thiazolidin-4-one?
The IUPAC name of 2-methylimino-1,3-thiazolidin-4-one (CID 135778872) is 2-methylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-methylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 2-methylimino-1,3-thiazolidin-4-one is C/N=C1/NC(=O)CS1.
What is the InChIKey of 2-methylimino-1,3-thiazolidin-4-one?
The InChIKey is DDHGVUYPMIUDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS/c1-5-4-6-3(7)2-8-4/h2H2,1H3,(H,5,6,7).
What are the key properties of 2-methylimino-1,3-thiazolidin-4-one?
2-methylimino-1,3-thiazolidin-4-one has a molecular weight of 130.17 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135778872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).